N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H19BrN2O — CID 81250294

IUPACN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-16(2,3)19-11-12-10-18-8-7-15(12)20-14-6-4-5-13(17)9-14/h4-10,19H,11H2,1-3H3
InChIKeyZGNMDOJOMMAJQH-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.52
Rot. Bonds4

About N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 81250294) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID81250294
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-16(2,3)19-11-12-10-18-8-7-15(12)20-14-6-4-5-13(17)9-14/h4-10,19H,11H2,1-3H3
InChIKeyZGNMDOJOMMAJQH-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254260
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250512
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075842
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323927
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 81250486
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-[[4-[(5-bromo-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81250685

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 81250294) is N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnccc1Oc1cccc(Br)c1.
What is the InChIKey of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZGNMDOJOMMAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-16(2,3)19-11-12-10-18-8-7-15(12)20-14-6-4-5-13(17)9-14/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81250294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).